SCHEMBL3202876

SCHEMBL3202876

CCOc1ccc(C(CC)CC)c2c1nc(Oc1ccc(Cl)cc1Br)n2C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.52
ALDH1A1 P00352 5/20 0.35
LMNA P02545 4/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A3 Q01959 1/20 0.34
THRB P10828 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
NR2F2 P24468 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2056029 0.93 CRHR1 (0.53) CRHR1ALDH1A1LMNASLC6A2SLC6A4
SCHEMBL2056017 0.91 CRHR1 (0.63) CRHR1ALDH1A1LMNASLC6A2SLC6A4
SCHEMBL2056034 0.89 CRHR1 (0.49) CRHR1ALDH1A1LMNASLC6A2SLC6A4
SCHEMBL2056030 0.89 CRHR1 (0.51) CRHR1ALDH1A1LMNASLC6A2SLC6A4
SCHEMBL2056043 0.87 CRHR1 (0.49) CRHR1ALDH1A1LMNASLC6A2SLC6A4
SCHEMBL2056035 0.86 CRHR1 (0.52) CRHR1ALDH1A1SLC6A2SLC6A4MAPT
SCHEMBL2056031 0.82 CRHR1 (0.45) CRHR1HPGDPOLBKMT2A
SCHEMBL2055982 0.81 CRHR1 (0.70) CRHR1ALDH1A1HPGDHTTGAA
SCHEMBL3216828 0.80 CRHR1 (0.81) CRHR1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL3214026 0.78 CRHR1 (0.51) CRHR1ALDH1A1LMNAPOLBMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US claimed
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
EP-2088861-A2 BENZIMIDAZOLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-08-19 EP disclosed
WO-2008051533-A2 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed
WO-2008051533-A2 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS HRH4, SSTR5, CNR1 CRHR1 4/4885ALDH1A1 1562/4885LMNA 4357/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.